Sc3Be7Co2
Alexandria ALEXAlex-ID: agm025686187 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
ScBe4Co ScBe5 Sc3Co
2025-05-15 16:05:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025686187).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm025686187
data_agm025686187
_cell_length_a 4.75644
_cell_length_b 4.75644
_cell_length_c 7.83943
_cell_angle_alpha 72.36370
_cell_angle_beta 107.63630
_cell_angle_gamma 120.04526
_cell_volume 143.82852
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc 0.00000 0.00000 0.50000 1.00000
Sc2 Sc 0.14697 0.85303 0.94054 1.00000
Sc3 Sc 0.85303 0.14697 0.05946 1.00000
Be1 Be 0.50000 0.50000 0.00000 1.00000
Be2 Be 0.09596 0.42798 0.73983 1.00000
Be3 Be 0.57202 0.90404 0.73983 1.00000
Be4 Be 0.57153 0.42847 0.73924 1.00000
Be5 Be 0.90404 0.57202 0.26017 1.00000
Be6 Be 0.42847 0.57153 0.26076 1.00000
Be7 Be 0.42798 0.09596 0.26017 1.00000
Co1 Co 0.33087 0.66913 0.49367 1.00000
Co2 Co 0.66913 0.33087 0.50633 1.00000
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